[Pw_forum] anyone meets the problem like this?
Robin H
robinshy at gmail.com
Thu Aug 4 11:30:12 CEST 2011
Dear all,anyone who used revPBE to creat PP has meet the warning like this :
!!!!!!!!!!!!!!!!!!! WARNING !!!!!!!!!!!!!!!!!!!!!!!
Message from routine ld1_readin:
US requires at least two energies per channel 4P
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
I am anxious to know how to resolve it. Welcome any suggestion.
my input is :
&input
title='Zn'
zed=30.
rel=1,
config='[Ar] 3d10.00 4s1.00 4p1.00',
iswitch=3,
dft='revPBE'
/
&inputp
lloc=1,
pseudotype=3,
tm=.true.,
file_pseudopw='Zn.revPBE.UPF',
/
5
3D 3 2 10.00 0.00 1.80 2.00
3D 3 2 0.00 0.05 1.80 2.00
4S 1 0 1.00 0.00 1.80 2.00
4S 1 0 0.00 0.05 1.80 2.00
4P 2 1 1.00 0.00 1.80 2.10
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